3-(heptylamino)-2-methylpropan-1-ol

C11H25NO — CID 65031965

IUPAC3-(heptylamino)-2-methylpropan-1-ol
SMILESCCCCCCCNCC(C)CO
InChIInChI=1S/C11H25NO/c1-3-4-5-6-7-8-12-9-11(2)10-13/h11-13H,3-10H2,1-2H3
InChIKeySVJSMLBBYQAPIW-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.17
Rot. Bonds9

About 3-(heptylamino)-2-methylpropan-1-ol

3-(heptylamino)-2-methylpropan-1-ol (PubChem CID 65031965) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 3-(heptylamino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(heptylamino)-2-methylpropan-1-ol
PubChem CID65031965
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name3-(heptylamino)-2-methylpropan-1-ol
SMILESCCCCCCCNCC(C)CO
InChIInChI=1S/C11H25NO/c1-3-4-5-6-7-8-12-9-11(2)10-13/h11-13H,3-10H2,1-2H3
InChIKeySVJSMLBBYQAPIW-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-(dodecylamino)propane-1,2-diol
CID 98095013
(2R)-3-(dodecylamino)propane-1,2-diol
CID 98095014
(2S)-1-(hexadecylamino)propan-2-ol
CID 96570879
2-amino-3-(dodecylamino)propan-1-ol
CID 88670185
N-(2-methyl-3-methylsulfanylpropyl)nonan-1-amine
CID 63964508
N-(2-methyl-3-methylsulfanylpropyl)decan-1-amine
CID 63964733
(2S,4S)-2,4-dimethyl-6-(octylamino)hexan-1-ol
CID 174260797
N,N'-dibutyl-2-methylpropane-1,3-diamine
CID 22075510
5-(butylamino)-2-methylpentan-1-ol
CID 106158336
3-(4-methoxybutylamino)-2-methylpropan-1-ol
CID 104647456
2-(hexadecylamino)ethane-1,1-diol
CID 87604065
2-(pentacosylamino)ethane-1,1-diol
CID 87068456

Frequently Asked Questions

What is the IUPAC name of 3-(heptylamino)-2-methylpropan-1-ol?
The IUPAC name of 3-(heptylamino)-2-methylpropan-1-ol (CID 65031965) is 3-(heptylamino)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(heptylamino)-2-methylpropan-1-ol?
The canonical SMILES for 3-(heptylamino)-2-methylpropan-1-ol is CCCCCCCNCC(C)CO.
What is the InChIKey of 3-(heptylamino)-2-methylpropan-1-ol?
The InChIKey is SVJSMLBBYQAPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-3-4-5-6-7-8-12-9-11(2)10-13/h11-13H,3-10H2,1-2H3.
What are the key properties of 3-(heptylamino)-2-methylpropan-1-ol?
3-(heptylamino)-2-methylpropan-1-ol has a molecular weight of 187.33 g/mol, XLogP of 2.17, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(heptylamino)-2-methylpropan-1-ol is sourced from PubChem (CID 65031965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).